Compound Identification
SMILES
ClC1=CC(C(=O)NC(=S)NC2=CC3=C(OC(=O)C=C3)C=C2)=C(Cl)C=C1
InChIKey
InChIKey=OJPMHYKLQOQEAL-UHFFFAOYSA-N
Formula
C17H10Cl2N2O3S
Mass
393.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
1-benzopyrans 2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Benzoyl derivatives Dichlorobenzenes Pyranones and derivatives Aryl chlorides Vinylogous halides Heteroaromatic compounds Thioureas Lactones Carboxylic acids and derivatives Oxacyclic compounds Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 1-benzopyran - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - 1,4-dichlorobenzene - Chlorobenzene - Halobenzene - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Vinylogous halide - Heteroaromatic compound - Thiourea - Lactone - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available